Mechanistic aspects of the gas-phase coupling of thioanisole and chlorobenzene to dibenzothiophene catalyzed by atomic Ho+

Abstract

Mechanistic aspects of the novel gas-phase generation of dibenzothiophene via coupling of thioanisole and chlorobenzene, employing atomic Ho⁺ as a catalyst, have been investigated using Fourier-transform ion cyclotron resonance mass spectrometry in conjunction with density functional theory (DFT) calculations.